2-[4-(benzenesulfonyl)piperazin-1-yl]acetic acid - CAS 937654-58-5
Catalog: |
BB041069 |
Product Name: |
2-[4-(benzenesulfonyl)piperazin-1-yl]acetic acid |
CAS: |
937654-58-5 |
Synonyms: |
2-[4-(benzenesulfonyl)-1-piperazinyl]acetic acid; 2-[4-(benzenesulfonyl)piperazin-1-yl]acetic acid |
IUPAC Name: | 2-[4-(benzenesulfonyl)piperazin-1-yl]acetic acid |
Description: | 2-[4-(benzenesulfonyl)piperazin-1-yl]acetic acid (CAS# 937654-58-5 ) is a useful research chemical. |
Molecular Weight: | 284.33 |
Molecular Formula: | C12H16N2O4S |
Canonical SMILES: | C1CN(CCN1CC(=O)O)S(=O)(=O)C2=CC=CC=C2 |
InChI: | InChI=1S/C12H16N2O4S/c15-12(16)10-13-6-8-14(9-7-13)19(17,18)11-4-2-1-3-5-11/h1-5H,6-10H2,(H,15,16) |
InChI Key: | CPMVTLXGTKVQRJ-UHFFFAOYSA-N |
Boiling Point: | 479.5±55.0 °C (760 mmHg) |
Density: | 1.366±0.06 g/cm3 (20 °C, 760 mmH g) |
LogP: | 1.03410 |
Publication Number | Title | Priority Date |
WO-2020006341-A1 | (s)-3-(2-(4-(benzyl)-3-oxopiperazin-1-yl)acetamido)-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid derivatives and related compounds as caspase inhibitors for treating cardiovascular diseases | 20180629 |
CA-3105352-A1 | (s)-3-(2-(4-(benzyl)-3-oxopiperazin-1-yl)acetamido)-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid derivatives and related compounds as caspase inhibitors for treating cardiovascular diseases | 20180629 |
EP-3814327-A1 | (s)-3-(2-(4-(benzyl)-3-oxopiperazin-1-yl)acetamido)-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid derivatives and related compounds as caspase inhibitors for treating cardiovascular diseases | 20180629 |
US-2021277014-A1 | (s)-3-(2-(4-(benzyl)-3-oxopiperazin-1-yl)acetamido)-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid derivatives and related compounds as caspase inhibitors for treating cardiovascular diseases | 20180629 |
US-2002022615-A1 | Cyclic oxyguanidine protease inhibitors | 20000804 |
Complexity: | 404 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 284.08307817 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 284.08307817 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 86.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.8 |
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